6-[(2-aminocyclohexyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione

C11H19N5O2 — CID 55151132

IUPAC6-[(2-aminocyclohexyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(NC2CCCCC2N)c(=O)n(C)c1=O
InChIInChI=1S/C11H19N5O2/c1-15-10(17)9(14-16(2)11(15)18)13-8-6-4-3-5-7(8)12/h7-8H,3-6,12H2,1-2H3,(H,13,14)
InChIKeyNYTXGSJRZQAUCQ-UHFFFAOYSA-N
MW253.31 g/mol
LogP-0.84
Rot. Bonds2

About 6-[(2-aminocyclohexyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione

6-[(2-aminocyclohexyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 55151132) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 6-[(2-aminocyclohexyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(2-aminocyclohexyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID55151132
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name6-[(2-aminocyclohexyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(NC2CCCCC2N)c(=O)n(C)c1=O
InChIInChI=1S/C11H19N5O2/c1-15-10(17)9(14-16(2)11(15)18)13-8-6-4-3-5-7(8)12/h7-8H,3-6,12H2,1-2H3,(H,13,14)
InChIKeyNYTXGSJRZQAUCQ-UHFFFAOYSA-N
XLogP-0.84
TPSA94.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(cyclopentylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 43410478
6-[(2-aminocyclohexyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 64929653
3-[[(1R,2R)-2-aminocyclohexyl]amino]-1-methylpyrazin-2-one
CID 94896988
6-[(2,2-dimethylcyclopentyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 79839056
4-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]cyclohexane-1-carboxamide
CID 61043016
2,4-dimethyl-6-[(2-methylpiperidin-4-yl)amino]-1,2,4-triazine-3,5-dione
CID 106996196
6-[(3-aminocyclobutyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 66005848
3-[(2-aminocyclopentyl)amino]-1-propylpyrazin-2-one
CID 63252226
trans-(1R,2R)-2-N-(1,3-dimethyl-4-nitropyrazol-5-yl)cyclohexane-1,2-diamine
CID 93453939
6-[2-(4-aminocyclohexyl)oxyethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 63871525
2,4-dimethyl-6-(1,2,3,4-tetrahydronaphthalen-2-ylamino)-1,2,4-triazine-3,5-dione
CID 60658790
3-[(2-aminocycloheptyl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 63258805

Frequently Asked Questions

What is the IUPAC name of 6-[(2-aminocyclohexyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(2-aminocyclohexyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 55151132) is 6-[(2-aminocyclohexyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(2-aminocyclohexyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(2-aminocyclohexyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is Cn1nc(NC2CCCCC2N)c(=O)n(C)c1=O.
What is the InChIKey of 6-[(2-aminocyclohexyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is NYTXGSJRZQAUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-15-10(17)9(14-16(2)11(15)18)13-8-6-4-3-5-7(8)12/h7-8H,3-6,12H2,1-2H3,(H,13,14).
What are the key properties of 6-[(2-aminocyclohexyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-[(2-aminocyclohexyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 253.31 g/mol, XLogP of -0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-aminocyclohexyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 55151132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).